2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide

C23H20ClN3O3 — CID 3302133

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O3/c1-14-6-7-15(21-27-20-19(29-21)5-4-12-25-20)13-18(14)26-22(28)23(2,3)30-17-10-8-16(24)9-11-17/h4-13H,1-3H3,(H,26,28)
InChIKeyQAJQOOOUOVAKNC-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.65
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 3302133) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
PubChem CID3302133
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O3/c1-14-6-7-15(21-27-20-19(29-21)5-4-12-25-20)13-18(14)26-22(28)23(2,3)30-17-10-8-16(24)9-11-17/h4-13H,1-3H3,(H,26,28)
InChIKeyQAJQOOOUOVAKNC-UHFFFAOYSA-N
XLogP5.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30307943
2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 30308501
5-chloro-2-methoxy-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1337246
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide
CID 6457260
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 1338199
2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 30308461
2-(4-bromophenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 17092504
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000
5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1333230
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 30307954
5-bromo-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 2866990
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334867

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (CID 3302133) is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is QAJQOOOUOVAKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-14-6-7-15(21-27-20-19(29-21)5-4-12-25-20)13-18(14)26-22(28)23(2,3)30-17-10-8-16(24)9-11-17/h4-13H,1-3H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 421.88 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 3302133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).